CID 2849412

2-azepanylmethanol

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

41
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 125.0
[M+Na]+ 152.10459 132.8
[M+NH4]+ 147.14919 132.4
[M+K]+ 168.07853 129.4
[M-H]- 128.10809 125.2
[M+Na-2H]- 150.09004 129.6
[M]+ 129.11482 125.9
[M]- 129.11592 125.9
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