CID 17567361

877212-98-1

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

CN1CC[C@H]2[C@@H]1CNC2

InChI

InChI=1S/C7H14N2/c1-9-3-2-6-4-8-5-7(6)9/h6-8H,2-5H2,1H3/t6-,7+/m1/s1

InChIKey

PFZIWBWEHFZIMT-RQJHMYQMSA-N

Compound name

(3aR,6aR)-1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 126.1157 Da
Monoisotopic Mass: 0.1
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]+	127.12298	129.3
[M+Na]+	149.10492	136.2
[M-H]-	125.10842	129.2
[M+NH4]+	144.14952	152.6
[M+K]+	165.07886	134.4
[M+H-H2O]+	109.11296	123.0
[M+HCOO]-	171.11390	147.4
[M+CH3COO]-	185.12955	141.9
[M+Na-2H]-	147.09037	132.0
[M]+	126.11515	124.0
[M]-	126.11625	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe