CID 2760955

849020-94-6

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1CN

InChI

InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-10-7-5-4-6-9(10)8-13/h4-7H,8,13H2,1-3H3,(H,14,15)

InChIKey

BFFRNSYPZZUZDR-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(aminomethyl)phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 222.13683 Da
Monoisotopic Mass: 1.9
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]+	223.14411	152.0
[M+Na]+	245.12605	157.9
[M-H]-	221.12955	155.2
[M+NH4]+	240.17065	169.8
[M+K]+	261.09999	156.3
[M+H-H2O]+	205.13409	145.7
[M+HCOO]-	267.13503	175.1
[M+CH3COO]-	281.15068	193.1
[M+Na-2H]-	243.11150	156.9
[M]+	222.13628	151.6
[M]-	222.13738	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe