CID 10749699

Methyl 2-(1-aminocyclohexyl)acetate

Structural Information

Molecular Formula
C9H17NO2
SMILES
COC(=O)CC1(CCCCC1)N
InChI
InChI=1S/C9H17NO2/c1-12-8(11)7-9(10)5-3-2-4-6-9/h2-7,10H2,1H3
InChIKey
RLMHBOGYHKMLFN-UHFFFAOYSA-N
Compound name
methyl 2-(1-aminocyclohexyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

171.12593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.3
[M+Na]+ 194.11515 143.8
[M-H]- 170.11865 141.6
[M+NH4]+ 189.15975 160.8
[M+K]+ 210.08909 143.3
[M+H-H2O]+ 154.12319 134.2
[M+HCOO]- 216.12413 159.6
[M+CH3COO]- 230.13978 179.5
[M+Na-2H]- 192.10060 143.6
[M]+ 171.12538 134.9
[M]- 171.12648 134.9
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

patents stripe