CID 28563039

[2-(dimethylamino)ethyl](prop-2-yn-1-yl)amine dihydrochloride

Structural Information

Molecular Formula
C7H14N2
SMILES
CN(C)CCNCC#C
InChI
InChI=1S/C7H14N2/c1-4-5-8-6-7-9(2)3/h1,8H,5-7H2,2-3H3
InChIKey
ZZXKCTQNGMSDPR-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-prop-2-ynylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

126.1157 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.122976 127.7
[M+Na]+ 149.104918 135.2
[M-H]- 125.108424 128.4
[M+NH4]+ 144.149523 147.5
[M+K]+ 165.078858 135.0
[M+H-H2O]+ 109.112960 116.3
[M+HCOO]- 171.113901 147.7
[M+CH3COO]- 185.129551 189.8
[M+Na-2H]- 147.090366 133.2
[M]+ 126.11515142 123.0
[M]- 126.11624858 123.0
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