CID 24699786

5-(boc-amino)-2-methylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

222.13683 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 151.8
[M+Na]+ 245.12605 158.6
[M-H]- 221.12955 155.4
[M+NH4]+ 240.17065 169.9
[M+K]+ 261.09999 157.1
[M+H-H2O]+ 205.13409 145.8
[M+HCOO]- 267.13503 174.9
[M+CH3COO]- 281.15068 194.4
[M+Na-2H]- 243.11150 155.9
[M]+ 222.13628 151.8
[M]- 222.13738 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