CID 2849412

19168-71-9

Structural Information

Molecular Formula
C7H15NO
SMILES
C1CCC(NCC1)CO
InChI
InChI=1S/C7H15NO/c9-6-7-4-2-1-3-5-8-7/h7-9H,1-6H2
InChIKey
SAHMJQZPPPFESV-UHFFFAOYSA-N
Compound name
azepan-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

43
Patents

129.11537 Da
Monoisotopic Mass

0.4
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

literature stripe

Patent stripe

patents stripe