CID 81547222

5-isothiocyanato-2-methylpyridine

Structural Information

Molecular Formula
C7H6N2S
SMILES
CC1=NC=C(C=C1)N=C=S
InChI
InChI=1S/C7H6N2S/c1-6-2-3-7(4-8-6)9-5-10/h2-4H,1H3
InChIKey
NBAODYMCMUGIBS-UHFFFAOYSA-N
Compound name
5-isothiocyanato-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

150.02516 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.032436 126.6
[M+Na]+ 173.014378 136.5
[M-H]- 149.017884 131.0
[M+NH4]+ 168.058983 147.8
[M+K]+ 188.988318 133.5
[M+H-H2O]+ 133.022420 120.2
[M+HCOO]- 195.023361 148.1
[M+CH3COO]- 209.039011 177.9
[M+Na-2H]- 170.999826 132.6
[M]+ 150.02461142 128.5
[M]- 150.02570858 128.5
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