CID 64456

64058-95-3

Structural Information

Molecular Formula
C12H20N2S
SMILES
C1C2CC3CC1CC(C2)(C3)N=C(CS)N
InChI
InChI=1S/C12H20N2S/c13-11(7-15)14-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,15H,1-7H2,(H2,13,14)
InChIKey
JCAPKVLAOOSGIP-UHFFFAOYSA-N
Compound name
N'-(1-adamantyl)-2-sulfanylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13472 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14200 147.9
[M+Na]+ 247.12394 149.0
[M-H]- 223.12744 143.0
[M+NH4]+ 242.16854 173.2
[M+K]+ 263.09788 146.8
[M+H-H2O]+ 207.13198 142.7
[M+HCOO]- 269.13292 152.3
[M+CH3COO]- 283.14857 156.1
[M+Na-2H]- 245.10939 157.9
[M]+ 224.13417 148.5
[M]- 224.13527 148.5
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

No patent data available for this compound.