CID 255832

Nsc81748

Structural Information

Molecular Formula
C12H13NS
SMILES
CNCC1=C(C=CC2=CC=CC=C21)S
InChI
InChI=1S/C12H13NS/c1-13-8-11-10-5-3-2-4-9(10)6-7-12(11)14/h2-7,13-14H,8H2,1H3
InChIKey
STXRUMIZWWTREQ-UHFFFAOYSA-N
Compound name
1-(methylaminomethyl)naphthalene-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.07687 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08415 140.2
[M+Na]+ 226.06609 149.2
[M-H]- 202.06959 145.2
[M+NH4]+ 221.11069 161.3
[M+K]+ 242.04003 144.8
[M+H-H2O]+ 186.07413 134.4
[M+HCOO]- 248.07507 159.6
[M+CH3COO]- 262.09072 153.8
[M+Na-2H]- 224.05154 146.3
[M]+ 203.07632 142.4
[M]- 203.07742 142.4
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

No patent data available for this compound.