CID 425354

27259-95-6

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

C1C(CC12CC(C2)N)N

InChI

InChI=1S/C7H14N2/c8-5-1-7(2-5)3-6(9)4-7/h5-6H,1-4,8-9H2

InChIKey

BNYSTCCWEABAPG-UHFFFAOYSA-N

Compound name

spiro[3.3]heptane-2,6-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 126.1157 Da
Monoisotopic Mass: -0.4
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	125.8
[M+Na]+	149.10492	129.5
[M-H]-	125.10842	130.4
[M+NH4]+	144.14952	135.5
[M+K]+	165.07886	133.8
[M+H-H2O]+	109.11296	111.8
[M+HCOO]-	171.11390	144.9
[M+CH3COO]-	185.12955	188.7
[M+Na-2H]-	147.09037	130.5
[M]+	126.11515	136.3
[M]-	126.11625	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe