CID 22096564

[1-methyl-2-({1,2,2-trimethylbicyclo[3.1.0]hexan-3-yl}methyl)cyclopropyl]methanol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1(C(CC2C1(C2)C)CC3CC3(C)CO)C
InChI
InChI=1S/C15H26O/c1-13(2)10(6-12-8-15(12,13)4)5-11-7-14(11,3)9-16/h10-12,16H,5-9H2,1-4H3
InChIKey
OAKFACUIGQLOCA-UHFFFAOYSA-N
Compound name
[1-methyl-2-[(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)methyl]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

522
Patents

222.19836 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 157.7
[M+Na]+ 245.187578 165.9
[M-H]- 221.191084 164.5
[M+NH4]+ 240.232183 172.0
[M+K]+ 261.161518 165.7
[M+H-H2O]+ 205.195620 156.4
[M+HCOO]- 267.196561 171.5
[M+CH3COO]- 281.212211 201.8
[M+Na-2H]- 243.173026 160.0
[M]+ 222.19781142 163.5
[M]- 222.19890858 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe