CID 68646527

Methyl 3-(1-aminocyclohexyl)propanoate hydrochloride

Structural Information

Molecular Formula
C10H19NO2
SMILES
COC(=O)CCC1(CCCCC1)N
InChI
InChI=1S/C10H19NO2/c1-13-9(12)5-8-10(11)6-3-2-4-7-10/h2-8,11H2,1H3
InChIKey
NDYACYLLNUSTGP-UHFFFAOYSA-N
Compound name
methyl 3-(1-aminocyclohexyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

185.14159 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 143.8
[M+Na]+ 208.13081 147.8
[M-H]- 184.13431 145.9
[M+NH4]+ 203.17541 164.7
[M+K]+ 224.10475 147.1
[M+H-H2O]+ 168.13885 138.5
[M+HCOO]- 230.13979 163.7
[M+CH3COO]- 244.15544 182.5
[M+Na-2H]- 206.11626 147.6
[M]+ 185.14104 139.8
[M]- 185.14214 139.8
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