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

78
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

literature stripe

Patent stripe

patents stripe