CID 96199

Einecs 230-885-0

Structural Information

Molecular Formula
C6H17N3
SMILES
CC(CNCC(C)N)N
InChI
InChI=1S/C6H17N3/c1-5(7)3-9-4-6(2)8/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey
WIFVBBXWAWZSJA-UHFFFAOYSA-N
Compound name
1-N-(2-aminopropyl)propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

252
Patents

131.14224 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.149516 132.6
[M+Na]+ 154.131458 136.7
[M-H]- 130.134964 131.8
[M+NH4]+ 149.176063 153.0
[M+K]+ 170.105398 136.7
[M+H-H2O]+ 114.139500 126.8
[M+HCOO]- 176.140441 156.0
[M+CH3COO]- 190.156091 182.3
[M+Na-2H]- 152.116906 135.3
[M]+ 131.14169142 127.9
[M]- 131.14278858 127.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe