CID 115852

3a,7-methano-3ah-cyclopentacycloocten-3-ol, decahydro-1,1,7-trimethyl-

Structural Information

Molecular Formula
C15H26O
SMILES
CC1(CC(C23C1CCC(C2)(CCC3)C)O)C
InChI
InChI=1S/C15H26O/c1-13(2)9-12(16)15-7-4-6-14(3,10-15)8-5-11(13)15/h11-12,16H,4-10H2,1-3H3
InChIKey
NMXIRPDQDDCGRJ-UHFFFAOYSA-N
Compound name
4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

222.19836 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 155.7
[M+Na]+ 245.187578 161.8
[M-H]- 221.191084 158.1
[M+NH4]+ 240.232183 183.4
[M+K]+ 261.161518 157.6
[M+H-H2O]+ 205.195620 151.1
[M+HCOO]- 267.196561 168.5
[M+CH3COO]- 281.212211 166.7
[M+Na-2H]- 243.173026 159.7
[M]+ 222.19781142 150.5
[M]- 222.19890858 150.5
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