CID 53420358

885270-77-9

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CC1=CC(=C(C=C1)N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H18N2O2/c1-8-5-6-9(13)10(7-8)14-11(15)16-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15)
InChIKey
ITNKEMSWAOSDIT-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-5-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

222.13683 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 151.8
[M+Na]+ 245.126048 158.6
[M-H]- 221.129554 155.4
[M+NH4]+ 240.170653 169.9
[M+K]+ 261.099988 157.1
[M+H-H2O]+ 205.134090 145.8
[M+HCOO]- 267.135031 174.9
[M+CH3COO]- 281.150681 194.4
[M+Na-2H]- 243.111496 155.9
[M]+ 222.13628142 151.8
[M]- 222.13737858 151.8
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