CID 12372797

N-(prop-2-yn-1-yl)cyclopropanamine

Structural Information

Molecular Formula
C6H9N
SMILES
C#CCNC1CC1
InChI
InChI=1S/C6H9N/c1-2-5-7-6-3-4-6/h1,6-7H,3-5H2
InChIKey
QNJFRCLMHDVMQQ-UHFFFAOYSA-N
Compound name
N-prop-2-ynylcyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

95.0735 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 114.4
[M+Na]+ 118.062718 129.2
[M-H]- 94.066224 119.8
[M+NH4]+ 113.107323 132.5
[M+K]+ 134.036658 123.9
[M+H-H2O]+ 78.070760 105.7
[M+HCOO]- 140.071701 135.8
[M+CH3COO]- 154.087351 181.6
[M+Na-2H]- 116.048166 123.5
[M]+ 95.07295142 112.2
[M]- 95.07404858 112.2
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

patents stripe