CID 22594076

(azepan-4-yl)methanol

Structural Information

Molecular Formula
C7H15NO
SMILES
C1CC(CCNC1)CO
InChI
InChI=1S/C7H15NO/c9-6-7-2-1-4-8-5-3-7/h7-9H,1-6H2
InChIKey
ICMFRWRTMCSQFV-UHFFFAOYSA-N
Compound name
azepan-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

129.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 124.5
[M+Na]+ 152.104588 126.9
[M-H]- 128.108094 124.3
[M+NH4]+ 147.149193 142.1
[M+K]+ 168.078528 129.3
[M+H-H2O]+ 112.112630 118.8
[M+HCOO]- 174.113571 140.7
[M+CH3COO]- 188.129221 168.5
[M+Na-2H]- 150.090036 129.6
[M]+ 129.11482142 114.7
[M]- 129.11591858 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