CID 9405

Guanidine, 1,1-diisopropyl-, nitrate

Structural Information

Molecular Formula
C7H17N3
SMILES
CC(C)N(C(C)C)C(=N)N
InChI
InChI=1S/C7H17N3/c1-5(2)10(6(3)4)7(8)9/h5-6H,1-4H3,(H3,8,9)
InChIKey
WPAUGFDCXHHMCR-UHFFFAOYSA-N
Compound name
1,1-di(propan-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

143.14224 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.14952 136.9
[M+Na]+ 166.13146 141.0
[M-H]- 142.13496 138.2
[M+NH4]+ 161.17606 157.8
[M+K]+ 182.10540 142.4
[M+H-H2O]+ 126.13950 131.0
[M+HCOO]- 188.14044 160.4
[M+CH3COO]- 202.15609 188.8
[M+Na-2H]- 164.11691 138.2
[M]+ 143.14169 133.5
[M]- 143.14279 133.5
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

No patent data available for this compound.