CID 22421062

3-(1-methylcyclopropyl)propan-1-ol

Structural Information

Molecular Formula
C7H14O
SMILES
CC1(CC1)CCCO
InChI
InChI=1S/C7H14O/c1-7(4-5-7)3-2-6-8/h8H,2-6H2,1H3
InChIKey
HDXYPDIVHHCIPN-UHFFFAOYSA-N
Compound name
3-(1-methylcyclopropyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

114.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.111736 124.6
[M+Na]+ 137.093678 133.7
[M-H]- 113.097184 128.3
[M+NH4]+ 132.138283 143.9
[M+K]+ 153.067618 132.6
[M+H-H2O]+ 97.101720 120.5
[M+HCOO]- 159.102661 147.0
[M+CH3COO]- 173.118311 171.4
[M+Na-2H]- 135.079126 132.5
[M]+ 114.10391142 127.5
[M]- 114.10500858 127.5
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