CID 15718760

4-isothiocyanato-1-methylpiperidine

Structural Information

Molecular Formula
C7H12N2S
SMILES
CN1CCC(CC1)N=C=S
InChI
InChI=1S/C7H12N2S/c1-9-4-2-7(3-5-9)8-6-10/h7H,2-5H2,1H3
InChIKey
AQZKLVVGTLCSOS-UHFFFAOYSA-N
Compound name
4-isothiocyanato-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

156.07211 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.079386 131.8
[M+Na]+ 179.061328 138.3
[M-H]- 155.064834 135.0
[M+NH4]+ 174.105933 152.4
[M+K]+ 195.035268 136.3
[M+H-H2O]+ 139.069370 125.3
[M+HCOO]- 201.070311 148.9
[M+CH3COO]- 215.085961 179.0
[M+Na-2H]- 177.046776 134.8
[M]+ 156.07156142 129.4
[M]- 156.07265858 129.4
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