CID 426500

N-(2-adamantylmethyl)-2-mercaptoethanimidamide

Structural Information

Molecular Formula
C13H22N2S
SMILES
C1C2CC3CC1CC(C2)C3CN=C(CS)N
InChI
InChI=1S/C13H22N2S/c14-13(7-16)15-6-12-10-2-8-1-9(4-10)5-11(12)3-8/h8-12,16H,1-7H2,(H2,14,15)
InChIKey
AMMVENNVNPXCAE-UHFFFAOYSA-N
Compound name
N'-(2-adamantylmethyl)-2-sulfanylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.15038 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15766 152.0
[M+Na]+ 261.13960 152.4
[M-H]- 237.14310 147.1
[M+NH4]+ 256.18420 175.0
[M+K]+ 277.11354 150.2
[M+H-H2O]+ 221.14764 147.0
[M+HCOO]- 283.14858 156.1
[M+CH3COO]- 297.16423 159.8
[M+Na-2H]- 259.12505 159.9
[M]+ 238.14983 153.0
[M]- 238.15093 153.0
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

No patent data available for this compound.