CID 53407163

1263378-36-4

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC(C)(C)OC(=O)C1(CC1)CN

InChI

InChI=1S/C9H17NO2/c1-8(2,3)12-7(11)9(6-10)4-5-9/h4-6,10H2,1-3H3

InChIKey

VKMKOHKFVXVSFK-UHFFFAOYSA-N

Compound name

tert-butyl 1-(aminomethyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 171.12593 Da
Monoisotopic Mass: 0.4
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	138.7
[M+Na]+	194.115148	147.1
[M-H]-	170.118654	143.1
[M+NH4]+	189.159753	156.0
[M+K]+	210.089088	146.2
[M+H-H2O]+	154.123190	134.7
[M+HCOO]-	216.124131	160.2
[M+CH3COO]-	230.139781	184.4
[M+Na-2H]-	192.100596	144.8
[M]+	171.12538142	142.0
[M]-	171.12647858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe