CID 2794659

220298-96-4

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)CN
InChI
InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-10-6-4-9(8-13)5-7-10/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKey
URXUHALBOWYXJZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(aminomethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

297
Patents

222.13683 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 152.0
[M+Na]+ 245.126048 157.9
[M-H]- 221.129554 155.2
[M+NH4]+ 240.170653 169.8
[M+K]+ 261.099988 156.3
[M+H-H2O]+ 205.134090 145.7
[M+HCOO]- 267.135031 175.1
[M+CH3COO]- 281.150681 193.1
[M+Na-2H]- 243.111496 156.9
[M]+ 222.13628142 151.6
[M]- 222.13737858 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

No literature data available for this compound.

Patent stripe

patents stripe