CID 17950343

1101184-94-4

Structural Information

Molecular Formula
C9H18N2O
SMILES
C=CCNCC(CNCC=C)O
InChI
InChI=1S/C9H18N2O/c1-3-5-10-7-9(12)8-11-6-4-2/h3-4,9-12H,1-2,5-8H2
InChIKey
NZLVWYSTFRNEGZ-UHFFFAOYSA-N
Compound name
1,3-bis(prop-2-enylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

125
Patents

170.1419 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.149176 141.7
[M+Na]+ 193.131118 145.8
[M-H]- 169.134624 139.9
[M+NH4]+ 188.175723 160.6
[M+K]+ 209.105058 143.5
[M+H-H2O]+ 153.139160 136.0
[M+HCOO]- 215.140101 164.6
[M+CH3COO]- 229.155751 184.4
[M+Na-2H]- 191.116566 145.7
[M]+ 170.14135142 139.9
[M]- 170.14244858 139.9
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