CID 71757317

Methyl 2-amino-2-methylcyclohexane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC1(CCCCC1C(=O)OC)N
InChI
InChI=1S/C9H17NO2/c1-9(10)6-4-3-5-7(9)8(11)12-2/h7H,3-6,10H2,1-2H3
InChIKey
ZDEKKLLOCHUNDD-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-methylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 138.9
[M+Na]+ 194.11515 147.8
[M+NH4]+ 189.15975 148.2
[M+K]+ 210.08909 141.2
[M-H]- 170.11865 140.4
[M+Na-2H]- 192.10060 144.1
[M]+ 171.12538 140.4
[M]- 171.12648 140.4
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.