CID 2772281

N,n-diethyl-2-isothiocyanatoethanamine

Structural Information

Molecular Formula
C7H14N2S
SMILES
CCN(CC)CCN=C=S
InChI
InChI=1S/C7H14N2S/c1-3-9(4-2)6-5-8-7-10/h3-6H2,1-2H3
InChIKey
LASJRIHCUCYPGY-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-isothiocyanatoethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

158.08777 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09505 136.7
[M+Na]+ 181.07699 145.6
[M+NH4]+ 176.12159 145.2
[M+K]+ 197.05093 137.3
[M-H]- 157.08049 138.3
[M+Na-2H]- 179.06244 140.6
[M]+ 158.08722 138.7
[M]- 158.08832 138.7
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