CID 73013069

1785004-69-4

Structural Information

Molecular Formula
C10H14ClN3O2
SMILES
CC(C)(C)OC(=O)NCC1=CN=C(C=N1)Cl
InChI
InChI=1S/C10H14ClN3O2/c1-10(2,3)16-9(15)14-5-7-4-13-8(11)6-12-7/h4,6H,5H2,1-3H3,(H,14,15)
InChIKey
FXTHKNGERJHEQO-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-chloropyrazin-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

243.07745 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.08473 153.4
[M+Na]+ 266.06667 161.8
[M-H]- 242.07017 154.5
[M+NH4]+ 261.11127 169.2
[M+K]+ 282.04061 158.8
[M+H-H2O]+ 226.07471 146.6
[M+HCOO]- 288.07565 169.6
[M+CH3COO]- 302.09130 191.8
[M+Na-2H]- 264.05212 159.9
[M]+ 243.07690 157.0
[M]- 243.07800 157.0
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