CID 75356185

4-methoxy-4-methylpent-1-yn-3-amine

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(C)(C(C#C)N)OC
InChI
InChI=1S/C7H13NO/c1-5-6(8)7(2,3)9-4/h1,6H,8H2,2-4H3
InChIKey
HURSVCZFHARVIN-UHFFFAOYSA-N
Compound name
4-methoxy-4-methylpent-1-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 130.5
[M+Na]+ 150.08894 138.9
[M-H]- 126.09244 130.0
[M+NH4]+ 145.13354 149.9
[M+K]+ 166.06288 138.4
[M+H-H2O]+ 110.09698 120.3
[M+HCOO]- 172.09792 146.6
[M+CH3COO]- 186.11357 184.5
[M+Na-2H]- 148.07439 134.7
[M]+ 127.09917 124.7
[M]- 127.10027 124.7
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.