CID 65071328

2-(1-methylazepan-4-yl)aceticacidhydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CN1CCCC(CC1)CC(=O)O
InChI
InChI=1S/C9H17NO2/c1-10-5-2-3-8(4-6-10)7-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKey
BYPJUZDWADRQOF-UHFFFAOYSA-N
Compound name
2-(1-methylazepan-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 135.2
[M+Na]+ 194.11515 142.8
[M+NH4]+ 189.15975 141.7
[M+K]+ 210.08909 139.9
[M-H]- 170.11865 135.0
[M+Na-2H]- 192.10060 138.7
[M]+ 171.12538 135.9
[M]- 171.12648 135.9
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.