CID 21901984

Azepan-3-ylmethanol

Structural Information

Molecular Formula
C7H15NO
SMILES
C1CCNCC(C1)CO
InChI
InChI=1S/C7H15NO/c9-6-7-3-1-2-4-8-5-7/h7-9H,1-6H2
InChIKey
UKEIQQPQNDQZRC-UHFFFAOYSA-N
Compound name
azepan-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

129.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 124.5
[M+Na]+ 152.10459 126.9
[M-H]- 128.10809 124.3
[M+NH4]+ 147.14919 142.1
[M+K]+ 168.07853 129.3
[M+H-H2O]+ 112.11263 118.8
[M+HCOO]- 174.11357 140.7
[M+CH3COO]- 188.12922 168.5
[M+Na-2H]- 150.09004 129.6
[M]+ 129.11482 114.7
[M]- 129.11592 114.7
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