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: 83
Patents: 143.14224 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	144.149516	136.9
[M+Na]+	166.131458	141.0
[M-H]-	142.134964	138.2
[M+NH4]+	161.176063	157.8
[M+K]+	182.105398	142.4
[M+H-H2O]+	126.139500	131.0
[M+HCOO]-	188.140441	160.4
[M+CH3COO]-	202.156091	188.8
[M+Na-2H]-	164.116906	138.2
[M]+	143.14169142	133.5
[M]-	143.14278858	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe