CID 62233709

1-methoxyhex-5-yn-3-amine

Structural Information

Molecular Formula
C7H13NO
SMILES
COCCC(CC#C)N
InChI
InChI=1S/C7H13NO/c1-3-4-7(8)5-6-9-2/h1,7H,4-6,8H2,2H3
InChIKey
DYXOLLGKFKGZMS-UHFFFAOYSA-N
Compound name
1-methoxyhex-5-yn-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 127.4
[M+Na]+ 150.08894 135.6
[M-H]- 126.09244 126.6
[M+NH4]+ 145.13354 146.8
[M+K]+ 166.06288 134.6
[M+H-H2O]+ 110.09698 116.7
[M+HCOO]- 172.09792 145.1
[M+CH3COO]- 186.11357 184.2
[M+Na-2H]- 148.07439 131.5
[M]+ 127.09917 122.2
[M]- 127.10027 122.2
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.