CID 79132269

1-(hydroxymethyl)cycloheptane-1-carbonitrile

Structural Information

Molecular Formula
C9H15NO
SMILES
C1CCCC(CC1)(CO)C#N
InChI
InChI=1S/C9H15NO/c10-7-9(8-11)5-3-1-2-4-6-9/h11H,1-6,8H2
InChIKey
RVCFJLHPJIAHEK-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)cycloheptane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 130.3
[M+Na]+ 176.10459 136.1
[M-H]- 152.10809 133.1
[M+NH4]+ 171.14919 148.9
[M+K]+ 192.07853 136.3
[M+H-H2O]+ 136.11263 120.0
[M+HCOO]- 198.11357 145.8
[M+CH3COO]- 212.12922 187.6
[M+Na-2H]- 174.09004 135.8
[M]+ 153.11482 119.1
[M]- 153.11592 119.1
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.