CID 10775412

Tert-butyl n-[(3-aminophenyl)methyl]carbamate

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N
InChI
InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-8-9-5-4-6-10(13)7-9/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKey
LSOZALWRNWQPLK-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-aminophenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

652
Patents

222.13683 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe