CID 13595680

Methyl 2-methylazepane-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC1(CCCCCN1)C(=O)OC
InChI
InChI=1S/C9H17NO2/c1-9(8(11)12-2)6-4-3-5-7-10-9/h10H,3-7H2,1-2H3
InChIKey
PKCYTZWZCRORJV-UHFFFAOYSA-N
Compound name
methyl 2-methylazepane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 134.1
[M+Na]+ 194.11515 137.1
[M-H]- 170.11865 135.4
[M+NH4]+ 189.15975 152.6
[M+K]+ 210.08909 140.1
[M+H-H2O]+ 154.12319 128.5
[M+HCOO]- 216.12413 150.6
[M+CH3COO]- 230.13978 177.5
[M+Na-2H]- 192.10060 138.6
[M]+ 171.12538 127.1
[M]- 171.12648 127.1
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.