CID 13829095

63346-69-0

Structural Information

Molecular Formula
C9H21NS
SMILES
CC(C)N(CCSC)C(C)C
InChI
InChI=1S/C9H21NS/c1-8(2)10(9(3)4)6-7-11-5/h8-9H,6-7H2,1-5H3
InChIKey
LTZXYLOWXWDULT-UHFFFAOYSA-N
Compound name
N-(2-methylsulfanylethyl)-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

175.13947 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14675 142.8
[M+Na]+ 198.12869 147.5
[M-H]- 174.13219 144.2
[M+NH4]+ 193.17329 164.0
[M+K]+ 214.10263 147.7
[M+H-H2O]+ 158.13673 136.9
[M+HCOO]- 220.13767 159.3
[M+CH3COO]- 234.15332 190.2
[M+Na-2H]- 196.11414 141.9
[M]+ 175.13892 146.4
[M]- 175.14002 146.4
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

patents stripe