CID 89535833

1431960-57-4

Structural Information

Molecular Formula
C12H17ClN2O2
SMILES
CC(C)(C)OC(=O)NCC1=C(C=CC=C1Cl)N
InChI
InChI=1S/C12H17ClN2O2/c1-12(2,3)17-11(16)15-7-8-9(13)5-4-6-10(8)14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKey
OIJLQDYOBNPVRN-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-amino-6-chlorophenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

256.09787 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10515 158.8
[M+Na]+ 279.08709 166.5
[M-H]- 255.09059 162.3
[M+NH4]+ 274.13169 176.5
[M+K]+ 295.06103 162.9
[M+H-H2O]+ 239.09513 153.7
[M+HCOO]- 301.09607 177.4
[M+CH3COO]- 315.11172 198.1
[M+Na-2H]- 277.07254 162.5
[M]+ 256.09732 161.0
[M]- 256.09842 161.0
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