CID 58495

7-isopropylthioheptanamide

Structural Information

Molecular Formula
C10H21NOS
SMILES
CC(C)SCCCCCCC(=O)N
InChI
InChI=1S/C10H21NOS/c1-9(2)13-8-6-4-3-5-7-10(11)12/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKey
RNOCVYPIICITNX-UHFFFAOYSA-N
Compound name
7-propan-2-ylsulfanylheptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13438 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.14166 149.9
[M+Na]+ 226.12360 154.3
[M-H]- 202.12710 149.0
[M+NH4]+ 221.16820 168.9
[M+K]+ 242.09754 152.1
[M+H-H2O]+ 186.13164 143.9
[M+HCOO]- 248.13258 165.5
[M+CH3COO]- 262.14823 189.9
[M+Na-2H]- 224.10905 148.3
[M]+ 203.13383 152.3
[M]- 203.13493 152.3
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.