CID 10888360

181300-38-9

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC1CCC(CC1)(C(=O)OC)N

InChI

InChI=1S/C9H17NO2/c1-7-3-5-9(10,6-4-7)8(11)12-2/h7H,3-6,10H2,1-2H3

InChIKey

QXRALRQVSKYBDB-UHFFFAOYSA-N

Compound name

methyl 1-amino-4-methylcyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 171.12593 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	172.133206	138.5
[M+Na]+	194.115148	143.9
[M-H]-	170.118654	141.2
[M+NH4]+	189.159753	160.3
[M+K]+	210.089088	143.4
[M+H-H2O]+	154.123190	133.7
[M+HCOO]-	216.124131	158.7
[M+CH3COO]-	230.139781	180.6
[M+Na-2H]-	192.100596	142.2
[M]+	171.12538142	134.5
[M]-	171.12647858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe