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]+ 128.106996 130.5
[M+Na]+ 150.088938 138.9
[M-H]- 126.092444 130.0
[M+NH4]+ 145.133543 149.9
[M+K]+ 166.062878 138.4
[M+H-H2O]+ 110.096980 120.3
[M+HCOO]- 172.097921 146.6
[M+CH3COO]- 186.113571 184.5
[M+Na-2H]- 148.074386 134.7
[M]+ 127.09917142 124.7
[M]- 127.10026858 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.