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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	115.11174	123.1
[M+Na]+	137.09368	133.7
[M-H]-	113.09718	127.6
[M+NH4]+	132.13828	144.6
[M+K]+	153.06762	133.4
[M+H-H2O]+	97.101720	120.6
[M+HCOO]-	159.10266	145.0
[M+CH3COO]-	173.11831	172.3
[M+Na-2H]-	135.07913	131.5
[M]+	114.10391	126.8
[M]-	114.10501	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.