CID 44787

Heptanethiol, 7-amino-

Structural Information

Molecular Formula
C7H17NS
SMILES
C(CCCN)CCCS
InChI
InChI=1S/C7H17NS/c8-6-4-2-1-3-5-7-9/h9H,1-8H2
InChIKey
VFZBISABHRHOEL-UHFFFAOYSA-N
Compound name
7-aminoheptane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

147.10817 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11545 132.8
[M+Na]+ 170.09739 138.8
[M-H]- 146.10089 132.4
[M+NH4]+ 165.14199 154.3
[M+K]+ 186.07133 136.7
[M+H-H2O]+ 130.10543 127.4
[M+HCOO]- 192.10637 151.0
[M+CH3COO]- 206.12202 178.3
[M+Na-2H]- 168.08284 134.9
[M]+ 147.10762 134.6
[M]- 147.10872 134.6
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