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

18
Patents

114.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 124.6
[M+Na]+ 137.09368 133.7
[M-H]- 113.09718 128.3
[M+NH4]+ 132.13828 143.9
[M+K]+ 153.06762 132.6
[M+H-H2O]+ 97.101720 120.5
[M+HCOO]- 159.10266 147.0
[M+CH3COO]- 173.11831 171.4
[M+Na-2H]- 135.07913 132.5
[M]+ 114.10391 127.5
[M]- 114.10501 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