CID 13157241

57930-20-8

Structural Information

Molecular Formula

C₄H₁₁N₃O

SMILES

CC(C)NC(=O)NN

InChI

InChI=1S/C4H11N3O/c1-3(2)6-4(8)7-5/h3H,5H2,1-2H3,(H2,6,7,8)

InChIKey

LFKPBYQABCKLDW-UHFFFAOYSA-N

Compound name

1-amino-3-propan-2-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 117.09021 Da
Monoisotopic Mass: -1.3
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]+	118.097486	125.2
[M+Na]+	140.079428	130.5
[M-H]-	116.082934	125.3
[M+NH4]+	135.124033	146.4
[M+K]+	156.053368	131.2
[M+H-H2O]+	100.087470	119.6
[M+HCOO]-	162.088411	150.4
[M+CH3COO]-	176.104061	176.6
[M+Na-2H]-	138.064876	130.0
[M]+	117.08966142	121.4
[M]-	117.09075858	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe