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]+ 225.141996 147.9
[M+Na]+ 247.123938 149.0
[M-H]- 223.127444 143.0
[M+NH4]+ 242.168543 173.2
[M+K]+ 263.097878 146.8
[M+H-H2O]+ 207.131980 142.7
[M+HCOO]- 269.132921 152.3
[M+CH3COO]- 283.148571 156.1
[M+Na-2H]- 245.109386 157.9
[M]+ 224.13417142 148.5
[M]- 224.13526858 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.