CID 15129466

(1,2,2-trimethylcyclopropyl)methanol

Structural Information

Molecular Formula
C7H14O
SMILES
CC1(CC1(C)CO)C
InChI
InChI=1S/C7H14O/c1-6(2)4-7(6,3)5-8/h8H,4-5H2,1-3H3
InChIKey
MTMSHFLYHMLPTP-UHFFFAOYSA-N
Compound name
(1,2,2-trimethylcyclopropyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

114.10446 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.111736 123.1
[M+Na]+ 137.093678 133.7
[M-H]- 113.097184 127.6
[M+NH4]+ 132.138283 144.6
[M+K]+ 153.067618 133.4
[M+H-H2O]+ 97.101720 120.6
[M+HCOO]- 159.102661 145.0
[M+CH3COO]- 173.118311 172.3
[M+Na-2H]- 135.079126 131.5
[M]+ 114.10391142 126.8
[M]- 114.10500858 126.8
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

No patent data available for this compound.