CID 54577218

848472-36-6

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CC1=CC(=NC(=C1)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H18N2O2/c1-8-6-9(2)13-10(7-8)14-11(15)16-12(3,4)5/h6-7H,1-5H3,(H,13,14,15)
InChIKey
VTOQKBTVQSCALH-UHFFFAOYSA-N
Compound name
tert-butyl N-(4,6-dimethylpyridin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

222.13683 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 151.7
[M+Na]+ 245.12605 159.5
[M-H]- 221.12955 154.5
[M+NH4]+ 240.17065 169.2
[M+K]+ 261.09999 158.1
[M+H-H2O]+ 205.13409 145.3
[M+HCOO]- 267.13503 173.2
[M+CH3COO]- 281.15068 192.6
[M+Na-2H]- 243.11150 156.8
[M]+ 222.13628 154.1
[M]- 222.13738 154.1
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