CID 9494

N,n-dipropylguanidine nitrate

Structural Information

Molecular Formula
C7H17N3
SMILES
CCCN(CCC)C(=N)N
InChI
InChI=1S/C7H17N3/c1-3-5-10(6-4-2)7(8)9/h3-6H2,1-2H3,(H3,8,9)
InChIKey
JMJVKOUWWKEIBN-UHFFFAOYSA-N
Compound name
1,1-dipropylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

143.14224 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.149516 135.5
[M+Na]+ 166.131458 140.0
[M-H]- 142.134964 136.5
[M+NH4]+ 161.176063 156.5
[M+K]+ 182.105398 140.3
[M+H-H2O]+ 126.139500 129.4
[M+HCOO]- 188.140441 161.0
[M+CH3COO]- 202.156091 186.9
[M+Na-2H]- 164.116906 139.4
[M]+ 143.14169142 133.4
[M]- 143.14278858 133.4
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