CID 104276828

1-aminohept-6-yn-3-ol hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C#CCCC(CCN)O
InChI
InChI=1S/C7H13NO/c1-2-3-4-7(9)5-6-8/h1,7,9H,3-6,8H2
InChIKey
PSIQTFJMRYGGKN-UHFFFAOYSA-N
Compound name
1-aminohept-6-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 129.1
[M+Na]+ 150.08894 136.9
[M-H]- 126.09244 127.0
[M+NH4]+ 145.13354 147.8
[M+K]+ 166.06288 135.1
[M+H-H2O]+ 110.09698 118.6
[M+HCOO]- 172.09792 145.3
[M+CH3COO]- 186.11357 181.8
[M+Na-2H]- 148.07439 132.5
[M]+ 127.09917 122.1
[M]- 127.10027 122.1
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.