CID 91647634

1899946-29-2

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

CN1C=C(C=N1)[C@@H]2C[C@H]2N

InChI

InChI=1S/C7H11N3/c1-10-4-5(3-9-10)6-2-7(6)8/h3-4,6-7H,2,8H2,1H3/t6-,7+/m0/s1

InChIKey

GXFORHADAUJCPJ-NKWVEPMBSA-N

Compound name

(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 137.09529 Da
Monoisotopic Mass: -0.5
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]+	138.10257	130.7
[M+Na]+	160.08451	141.9
[M-H]-	136.08801	135.8
[M+NH4]+	155.12911	146.6
[M+K]+	176.05845	138.2
[M+H-H2O]+	120.09255	123.4
[M+HCOO]-	182.09349	154.8
[M+CH3COO]-	196.10914	179.2
[M+Na-2H]-	158.06996	135.6
[M]+	137.09474	131.7
[M]-	137.09584	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe